期刊
NPJ COMPUTATIONAL MATERIALS
卷 3, 期 -, 页码 -出版社
NATURE PORTFOLIO
DOI: 10.1038/s41524-017-0024-0
关键词
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资金
- U.S. Army Research Laboratory [W911NF-08-2-0084]
- United States National Science Foundation [DMR-1006557]
- National Natural Science Foundation of China [51690163, 50871013, 51271018, 51271151, 51571161]
- Fundamental Research Funds for the Central Universities in China [G2016KY0302]
- Natural Science Basic Research Plan in Shaanxi province of China [2016JQ5003]
- Air Force [FA8650-10-5226]
- Department of Energy, Office of Fossil Energy, National Energy Technology Laboratory [DE-FE-0008855, DE-FE-0024054, DE-FE-0011194]
- U.S. Army Research Office project [W911NF-13-1-0438]
- National Science Foundation [CMMI-1100080, DMR-1611180]
- Ministry of Science and Technology of Taiwan [MOST 105-2221-E-007-017-MY3]
- Materials Simulation Center and the Institute for CyberScience
- NSF [OCI-0821527, ACI-1053575]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1611180] Funding Source: National Science Foundation
Refractory high-entropy alloys present attractive mechanical properties, i.e., high yield strength and fracture toughness, making them potential candidates for structural applications. Understandings of atomic and electronic interactions are important to reveal the origins for the formation of high-entropy alloys and their structure-dominated mechanical properties, thus enabling the development of a predictive approach for rapidly designing advanced materials. Here, we report the atomic and electronic basis for the valence-electron-concentration-categorized principles and the observed serration behavior in high-entropy alloys and high-entropy metallic glass, including MoNbTaW, MoNbVW, MoTaVW, HfNbTiZr, and Vitreloy-1 MG (Zr41Ti14Cu12.5Ni10Be22.5). We find that the yield strengths of high-entropy alloys and high-entropy metallic glass are a power-law function of the electron-work function, which is dominated by local atomic arrangements. Further, a reliance on the bonding-charge density provides a groundbreaking insight into the nature of loosely bonded spots in materials. The presence of strongly bonded clusters and weakly bonded glue atoms imply a serrated deformation of high-entropy alloys, resulting in intermittent avalanches of defects movement.
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